%nprocshared=8
%mem=20GB
#p genecp scf=xqc scrf=(solvent=tetrahydrofuran,smd) nosymm guess=always Int=grid=UltraFine empiricaldispersion=gd3 b3lyp

geom_75_SP

0 1
 C	 0.387945000	 3.336285000	 0.786174000
 H	 1.468772000	 3.264498000	 0.939322000
 N	 0.076859000	 2.665502000	-0.503465000
 O	-0.389357000	 4.821845000	-0.897297000
 Cu	-0.062639000	 0.623769000	-0.627802000
 C	-0.036592000	 4.802979000	 0.519639000
 H	-0.919731000	 5.111505000	 1.084425000
 H	 0.769766000	 5.521662000	 0.672059000
 N	-0.748326000	 0.866103000	-2.557665000
 O	-0.921896000	 1.808835000	-4.584818000
 C	-0.329287000	 3.550897000	-1.336579000
 C	-0.738436000	 3.385682000	-2.787025000
 C	-0.780106000	 1.942563000	-3.253290000
 C	-0.998438000	 0.378412000	-4.869718000
 H	-0.198199000	 0.135381000	-5.571048000
 H	-1.966659000	 0.186938000	-5.336181000
 C	-0.848626000	-0.298669000	-3.484371000
 H	-1.754200000	-0.851654000	-3.220485000
 C	 0.364862000	-0.799929000	 0.489505000
 C	 0.672468000	-1.743045000	 1.251928000
 C	 0.973936000	-2.787795000	 2.087771000
 C	-0.055194000	-3.235089000	 3.024710000
 C	 2.443014000	-2.949826000	 2.447972000
 O	 3.307773000	-3.041276000	 1.348902000
 H	 2.574389000	-3.795774000	 3.132339000
 H	 2.712454000	-2.035538000	 2.994881000
 O	 2.053134000	-4.866886000	 0.777101000
 C	 3.101153000	-4.213891000	 0.532963000
 O	 4.001362000	-4.398284000	-0.291809000
 C	 0.080580000	-4.486899000	 3.664664000
 C	-1.979378000	-4.110376000	 4.869993000
 C	-0.876291000	-4.919271000	 4.577844000
 C	-1.189209000	-2.441735000	 3.305430000
 C	-2.132210000	-2.873507000	 4.231113000
 H	-1.298659000	-1.477202000	 2.821098000
 H	 0.912703000	-5.129181000	 3.396272000
 H	-0.768602000	-5.888788000	 5.055617000
 H	-2.722178000	-4.444949000	 5.589063000
 H	-2.989507000	-2.245945000	 4.458135000
 C	-0.318235000	 2.635238000	 1.929042000
 C	 0.423255000	 1.991387000	 2.925057000
 C	-1.717491000	 2.544977000	 1.953233000
 C	-0.219948000	 1.272462000	 3.936080000
 H	 1.509079000	 2.040365000	 2.900177000
 C	-2.362419000	 1.828495000	 2.961939000
 H	-2.304135000	 3.023721000	 1.172384000
 C	-1.613999000	 1.189973000	 3.956677000
 H	 0.367700000	 0.770157000	 4.699686000
 H	-3.447269000	 1.764154000	 2.970026000
 H	-2.114851000	 0.628458000	 4.740621000
 C	 0.358485000	-1.192568000	-3.284014000
 C	 0.230347000	-2.379106000	-2.552075000
 C	 1.634302000	-0.769256000	-3.681018000
 C	 1.358871000	-3.122379000	-2.198156000
 H	-0.755620000	-2.698275000	-2.222029000
 C	 2.761802000	-1.519584000	-3.342999000
 H	 1.753326000	 0.161000000	-4.232790000
 C	 2.628648000	-2.690439000	-2.589971000
 H	 1.259950000	-4.009922000	-1.580038000
 H	 3.747522000	-1.178641000	-3.649859000
 H	 3.497863000	-3.253235000	-2.266758000
 C	-2.167009000	 3.968971000	-2.969196000
 H	-2.474882000	 3.867853000	-4.013103000
 H	-2.887083000	 3.439478000	-2.336187000
 H	-2.173462000	 5.027998000	-2.701367000
 C	 0.274675000	 4.176493000	-3.657078000
 H	 1.281381000	 3.755036000	-3.565748000
 H	-0.027885000	 4.139822000	-4.705690000
 H	 0.299657000	 5.220001000	-3.334203000

-C -H -F 0
cc-pvtz
****
-O -N -S 0
aug-cc-pvtz
****
-Cu     0
S   1   1.00
8.1760000              1.0000000
S   1   1.00
2.5680000              1.0000000
S   1   1.00
0.9587000              1.0000000
S   1   1.00
0.1153000              1.0000000
S   1   1.00
0.0396000              1.0000000
P   1   1.00
25.6300000              1.0000000
P   1   1.00
3.1660000              1.0000000
P   1   1.00
1.0230000              1.0000000
P   1   1.00
0.0860000              1.0000000
P   1   1.00
0.0240000              1.0000000
D   3   1.00
41.3400000              0.0465424
11.4200000              0.2227824
3.8390000              0.4539059
D   1   1.00
1.2300000              1.0000000
D   1   1.00
0.3102000              1.0000000
D   1   1.00
0.1010000              1.0000000
****

-CU     0
CU-ECP     2     10
d potential
3
1    511.9951763            -10.0000000
2     93.2801074            -72.5548282
2     23.2206669            -12.7450231
s-d potential
4
0    173.1180854              3.0000000
1    185.2419886             23.8351825
2     73.1517847            473.8930488
2     14.6884157            157.6345823
p-d potential
4
0    100.7191369              5.0000000
1    130.8345665              6.4990936
2     53.8683720            351.4605395
2     14.0989469             85.5016036

